Physodine B

Base Information

• Chemical Name: Physodine B
• CAS No.: 122051-34-7
• Molecular Formula: C41H58 O18
• Molecular Weight: 838.8884
• DSSTox Substance ID: DTXSID50924065

Synonyms:Physodine B;122051-34-7;DTXSID50924065;C41-H58-O18;LS-109561;3-[(2-O-Acetyl-6-deoxy-4-O-hexopyranosyl-3-O-methylhexopyranosyl)oxy]-2-(acetyloxy)-5,14-dihydroxy-19-oxobufa-20,22-dienolide

Chemical Property of Physodine B

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 936.2°Cat760mmHg
• Flash Point: 277.5°C
• Density: 1.44g/cm³
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 12
• Exact Mass: 838.36231500
• Heavy Atom Count: 59
• Complexity: 1690

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CC3(CCC4C(C3(CC2OC(=O)C)C=O)CCC5(C4(CCC5C6=COC(=O)C=C6)O)C)O)OC(=O)C)OC)OC7C(C(C(C(O7)CO)O)O)O

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